1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitrophenoxy)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitrophenoxy)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitrophenoxy)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitrophenoxy)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitrophenoxy)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitrophenoxy)ethanone Formula: C17H16N2O4 MolecularWeight: 312.31994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O4/c20-17(12-23-16-7-3-6-15(10-16)19(21)22)18-9-8-13-4-1-2-5-14(13)11-18/h1-7,10H,8-9,11-12H2